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FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data

(Quantitative) structure-activity relationship ([Q]SAR) methodologies are widely applied to predict the (eco)toxicological effects of chemicals, and their use is envisaged in different regulatory frameworks for filling data gaps of untested substances. However, their application to the risk assessme...

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Autores principales: Bossa, Cecilia, Andreoli, Cristina, Bakker, Martine, Barone, Flavia, De Angelis, Isabella, Jeliazkova, Nina, Nymark, Penny, Battistelli, Chiara Laura
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8591730/
https://www.ncbi.nlm.nih.gov/pubmed/34820591
http://dx.doi.org/10.1016/j.comtox.2021.100190
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author Bossa, Cecilia
Andreoli, Cristina
Bakker, Martine
Barone, Flavia
De Angelis, Isabella
Jeliazkova, Nina
Nymark, Penny
Battistelli, Chiara Laura
author_facet Bossa, Cecilia
Andreoli, Cristina
Bakker, Martine
Barone, Flavia
De Angelis, Isabella
Jeliazkova, Nina
Nymark, Penny
Battistelli, Chiara Laura
author_sort Bossa, Cecilia
collection PubMed
description (Quantitative) structure-activity relationship ([Q]SAR) methodologies are widely applied to predict the (eco)toxicological effects of chemicals, and their use is envisaged in different regulatory frameworks for filling data gaps of untested substances. However, their application to the risk assessment of nanomaterials is still limited, also due to the scarcity of large and curated experimental datasets. Despite a great amount of nanosafety data having been produced over the last decade in international collaborative initiatives, their interpretation, integration and reuse has been hampered by several obstacles, such as poorly described (meta)data, non-standard terminology, lack of harmonized reporting formats and criteria. Recently, the FAIR (Findable, Accessible, Interoperable, and Reusable) principles have been established to guide the scientific community in good data management and stewardship. The EU H2020 Gov4Nano project, together with other international projects and initiatives, is addressing the challenge of improving nanosafety data FAIRness, for maximizing their availability, understanding, exchange and ultimately their reuse. These efforts are largely supported by the creation of a common Nanosafety Data Interface, which connects a row of project-specific databases applying the eNanoMapper data model. A wide variety of experimental data relating to characterization and effects of nanomaterials are stored in the database; however, the methods, protocols and parameters driving their generation are not fully mature. This article reports the progress of an ongoing case study in the Gov4nano project on the reuse of in vitro Comet genotoxicity data, focusing on the issues and challenges encountered in their FAIRification through the eNanoMapper data model. The case study is part of an iterative process in which the FAIRification of data supports the understanding of the phenomena underlying their generation and, ultimately, improves their reusability.
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spelling pubmed-85917302021-11-22 FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data Bossa, Cecilia Andreoli, Cristina Bakker, Martine Barone, Flavia De Angelis, Isabella Jeliazkova, Nina Nymark, Penny Battistelli, Chiara Laura Comput Toxicol Article (Quantitative) structure-activity relationship ([Q]SAR) methodologies are widely applied to predict the (eco)toxicological effects of chemicals, and their use is envisaged in different regulatory frameworks for filling data gaps of untested substances. However, their application to the risk assessment of nanomaterials is still limited, also due to the scarcity of large and curated experimental datasets. Despite a great amount of nanosafety data having been produced over the last decade in international collaborative initiatives, their interpretation, integration and reuse has been hampered by several obstacles, such as poorly described (meta)data, non-standard terminology, lack of harmonized reporting formats and criteria. Recently, the FAIR (Findable, Accessible, Interoperable, and Reusable) principles have been established to guide the scientific community in good data management and stewardship. The EU H2020 Gov4Nano project, together with other international projects and initiatives, is addressing the challenge of improving nanosafety data FAIRness, for maximizing their availability, understanding, exchange and ultimately their reuse. These efforts are largely supported by the creation of a common Nanosafety Data Interface, which connects a row of project-specific databases applying the eNanoMapper data model. A wide variety of experimental data relating to characterization and effects of nanomaterials are stored in the database; however, the methods, protocols and parameters driving their generation are not fully mature. This article reports the progress of an ongoing case study in the Gov4nano project on the reuse of in vitro Comet genotoxicity data, focusing on the issues and challenges encountered in their FAIRification through the eNanoMapper data model. The case study is part of an iterative process in which the FAIRification of data supports the understanding of the phenomena underlying their generation and, ultimately, improves their reusability. Elsevier B.V 2021-11 /pmc/articles/PMC8591730/ /pubmed/34820591 http://dx.doi.org/10.1016/j.comtox.2021.100190 Text en © 2021 The Authors https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Bossa, Cecilia
Andreoli, Cristina
Bakker, Martine
Barone, Flavia
De Angelis, Isabella
Jeliazkova, Nina
Nymark, Penny
Battistelli, Chiara Laura
FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data
title FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data
title_full FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data
title_fullStr FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data
title_full_unstemmed FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data
title_short FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data
title_sort fairification of nanosafety data to improve applicability of (q)sar approaches: a case study on in vitro comet assay genotoxicity data
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8591730/
https://www.ncbi.nlm.nih.gov/pubmed/34820591
http://dx.doi.org/10.1016/j.comtox.2021.100190
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